1992
DOI: 10.1016/0045-6535(92)90570-h
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The i/o-characters to evaluate n-octanol/water partition coefficient in bioconcentration of organic chemicals in fish

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Cited by 4 publications
(3 citation statements)
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“…The methodology was first applied to study of the hydrolysis of several organophosphate pesticides in water. The calculated values of the reaction energetic barriers were successfully correlated with some previously published experimental data – namely with the rate constants obtained by Kamiya et al 42 for the hydrolytic cleavage of paraoxons and parathions, and with the activation energies of the pesticide degradation in the methanol–water mixture; 43 see ESI for more details. † Excellent correlations between the calculated values and experimental data prove that the computational methods used are applicable to study the organophosphate degradation in real systems.…”
Section: Resultssupporting
confidence: 64%
“…The methodology was first applied to study of the hydrolysis of several organophosphate pesticides in water. The calculated values of the reaction energetic barriers were successfully correlated with some previously published experimental data – namely with the rate constants obtained by Kamiya et al 42 for the hydrolytic cleavage of paraoxons and parathions, and with the activation energies of the pesticide degradation in the methanol–water mixture; 43 see ESI for more details. † Excellent correlations between the calculated values and experimental data prove that the computational methods used are applicable to study the organophosphate degradation in real systems.…”
Section: Resultssupporting
confidence: 64%
“…All these chemicals were purchased from Wako Pure Chemical Industries (Osaka, Japan). The physicochemical characteristics of the HOCs as defined by the Fujita's inorganicity (i) and organicity (o) characters, which are based on the concept of van der Waals interaction and electronic affinity, respectively [18,19], were determined using an Excel Macro program available at a web site (http://www.ecosci.jp/sheet/ orgs_help.html).…”
Section: Chemicalsmentioning
confidence: 99%
“…For more comprehensive understanding of the adsorptive behavior of HOCs, we considered the Fujita's i/o characters, which are the parameters based on the concept of van der Waals interaction and electronic affinity, respectively. The i/o ratio is useful to predict the physicochemical characteristics of chemical compounds in the liquid phase [18,19]. It can be used as a criterion of adsorbability as well as of solubility [23].…”
Section: Significance Of I/o Characters Of Chemicals In Sorptionmentioning
confidence: 99%